[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine

C18H35N3 — CID 79917366

IUPAC[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CCN3CCCCC3C2)CC1
InChIInChI=1S/C18H35N3/c1-2-5-16-7-9-18(15-19,10-8-16)21-13-12-20-11-4-3-6-17(20)14-21/h16-17H,2-15,19H2,1H3
InChIKeyPERRXWQFQOUKTJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.84
Rot. Bonds4

About [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine

[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine (PubChem CID 79917366) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
PubChem CID79917366
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CCN3CCCCC3C2)CC1
InChIInChI=1S/C18H35N3/c1-2-5-16-7-9-18(15-19,10-8-16)21-13-12-20-11-4-3-6-17(20)14-21/h16-17H,2-15,19H2,1H3
InChIKeyPERRXWQFQOUKTJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine (CID 79917366) is [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(N2CCN3CCCCC3C2)CC1.
What is the InChIKey of [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is PERRXWQFQOUKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-5-16-7-9-18(15-19,10-8-16)21-13-12-20-11-4-3-6-17(20)14-21/h16-17H,2-15,19H2,1H3.
What are the key properties of [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 79917366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).